Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29115458

O=C(O)C(F)(F)F.c1cn(-c2ccc3c(c2)CNCC3)cn1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
CRBN Q96SW2 2/20 0.46
TBXAS1 P24557 1/20 0.46
ADH5 P11766 3/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
MELK Q14680 1/20 0.39
SLC2A1 P11166 1/20 0.39
HTR6 P50406 1/20 0.39
CYP3A4 P08684 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL29494668 0.95 PDE3B (0.46) PDE3BPDE3ACRBNTBXAS1ADH5
Trifluoroacetic Acid SCHEMBL29115435 0.95 PDE3B (0.46) PDE3BPDE3ACRBNTBXAS1ADH5
SCHEMBL20929471 0.88 PDE3B (0.52) PDE3BPDE3ACRBNTBXAS1
SCHEMBL27928423 0.77 PDE3B (0.54) PDE3BPDE3ACRBNTBXAS1CYP3A4
Trifluoroacetic Acid SCHEMBL30090302 0.75 PARP1 (0.47) PARP1PARP2PARP3HTR6
SCHEMBL26318825 0.74 ESR1 (0.58) PDE3BPDE3ACRBNTBXAS1ADH5
Trifluoroacetic Acid SCHEMBL31630928 0.73 HTR6 (0.46) CRBNPARP1PARP2PARP3MELK
Trifluoroacetic Acid SCHEMBL7746107 0.72 PNMT (0.47) MELK
Trifluoroacetic Acid SCHEMBL29819945 0.72 PNMT (0.47) MELK
Trifluoroacetic Acid SCHEMBL30343298 0.72 CHRNB2 (0.56) MELK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964044-A Acetamido-phenyltetrazole derivatives and methods of use thereof 希华医药有限公司 2023-10-27 CN disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
EP-4225747-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076663-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 PDE3B 387/4885PDE3A 381/4885CRBN 2916/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 PDE3B 387/4885PDE3A 381/4885CRBN 2916/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.